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Compound Detail

CHEMBL1773946

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Cl.O=C(O)/C=C/CCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1773946
Phase Preclinical
Structure Type MOL
InChI Key UUPZZJLMYVGPRS-VEELZWTKSA-N
Parent Compound CHEMBL1789824
Active Moiety CHEMBL1789824
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

166.2
MW (Da)
0.98
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11ClN2O2
MW 202.64
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 1.07

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
21353350 10.1016/j.ejmech.2011.01.042 GABA transporter 3 1
21353350 10.1016/j.ejmech.2011.01.042 GABA transporter 4 1
21353350 10.1016/j.ejmech.2011.01.042 Unchecked 1
21353350 10.1016/j.ejmech.2011.01.042 Sodium- and chloride-dependent GABA transporter 1 1

Data from ChEMBL 36 via Core Engine